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3,4,5-Triazatetracyclo[5.5.1.0(2,6).0(8,12)]trideca-3,10-diene, 5-[(4-methylphenyl)sulfonyl]-
SpectraBase Compound ID D6tVbid7IL5
InChI InChI=1S/C17H19N3O2S/c1-10-5-7-11(8-6-10)23(21,22)20-17-15-9-14(16(17)18-19-20)12-3-2-4-13(12)15/h2-3,5-8,12-17H,4,9H2,1H3
InChIKey XAGFDLUKDSVZOM-UHFFFAOYSA-N
Mol Weight 329.42 g/mol
Molecular Formula C17H19N3O2S
Exact Mass 329.119798 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CeXcRGNWFLY
Name 3,4,5-Triazatetracyclo[5.5.1.0(2,6).0(8,12)]trideca-3,10-diene, 5-[(4-methylphenyl)sulfonyl]-
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19N3O2S
InChI InChI=1S/C17H19N3O2S/c1-10-5-7-11(8-6-10)23(21,22)20-17-15-9-14(16(17)18-19-20)12-3-2-4-13(12)15/h2-3,5-8,12-17H,4,9H2,1H3
InChIKey XAGFDLUKDSVZOM-UHFFFAOYSA-N
Molecular Weight 329.418 g/mol
SMILES Cc1ccc(S(N2C3C(C4CC3C3C4C=CC3)N=N2)(=O)=O)cc1
SPLASH splash10-001r-9370000000-5f5b2b5cebaeeb4c81d8
Wiley ID 1466453